SCHEMBL4835508

SCHEMBL4835508

CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCc2cc(F)c(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
GHSR Q92847 1/20 0.34
APLNR P35414 1/20 0.33
BDKRB1 P46663 4/20 0.31
BACE1 P56817 1/20 0.31
RORC P51449 1/20 0.31
MMP8 P22894 2/20 0.31
MMP3 P08254 1/20 0.31
EPHX2 P34913 1/20 0.30
NR1I3 Q14994 3/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4835493 1.00 DPP8 (0.39) DPP8DPP9GHSRAPLNRBDKRB1
SCHEMBL31730656 0.81 BACE1 (0.41) GHSRBACE1
SCHEMBL4513886 0.81 HDAC4 (0.33) DPP8DPP9APLNRRORC
SCHEMBL306307 0.80 GHSR (0.43) DPP8DPP9GHSRBACE1EPHX2
SCHEMBL18614341 0.80 GHSR (0.43) DPP8DPP9GHSRBACE1EPHX2
SCHEMBL4837190 0.80 GHSR (0.43) DPP8DPP9GHSRBACE1EPHX2
SCHEMBL24781343 0.74 NPC1 (0.32) GHSRAPLNRBACE1RORC
SCHEMBL28970176 0.74 NPC1 (0.32) GHSRAPLNRBACE1RORC
SCHEMBL24781183 0.74 NPC1 (0.32) GHSRAPLNRBACE1RORC
SCHEMBL30060575 0.74 NPC1 (0.32) GHSRAPLNRBACE1RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442692-B2 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-10-28 US disclosed
US-20060223830-A1 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060223830-A1 Indanyl-piperazine compounds HTR4, NR4A1, NR4A3 DPP8 2509/4885DPP9 3947/4885GHSR 415/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.